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Concept information

Preferred term

سیانیدین 3،5 دی (6 استیل گلوکوزید)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • +1

formula

  • C31H35O18

inchi

  • InChI=1S/C31H34O18/c1-11(32)43-9-21-23(37)25(39)27(41)30(48-21)46-19-7-14(34)6-18-15(19)8-20(29(45-18)13-3-4-16(35)17(36)5-13)47-31-28(42)26(40)24(38)22(49-31)10-44-12(2)33/h3-8,21-28,30-31,37-42H,9-10H2,1-2H3,(H2-,34,35,36)/p+1/t21?,22?,23-,24-,25+,26?,27?,28?,30-,31-/m1/s1

inchikey

  • ZAYZHLHYKPKZGL-PNTQANCPSA-O

mass

  • 695.602

monoisotopicmass

  • 695.18179

smiles

  • O1C([C@@H](O)C(O)C(O)[C@@H]1OC=2C=C3C(O[C@@H]4OC([C@@H](O)[C@H](O)C4O)COC(=O)C)=CC(O)=CC3=[O+]C2C5=CC(O)=C(O)C=C5)COC(=O)C

subset

  • 2_STAR

synonym EXACT

  • [(3S,4S,6S)-6-[3-[(2S,5S)-6-(acetyloxymethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-7-hydroxychromenylium-5-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:186776

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